- InChI
- InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
- InChI Key
- KXUBAVLIJFTASZ-UHFFFAOYSA-N
- Formula
- C22H27FN2O
- SMILES
-
CCC(=O)N(c1ccc(F)cc1)C1CCN(CCc
2ccccc2)CC1 - Molecular Weight1
- 354.46
- CAS
- 90736-23-5
- Other Names
-
- p-Fluorofentanyl
- 4'-Fluoro fentanyl
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7261 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -217.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.276 | Crippen Calculated Property | |
| McVol | 285.760 | ml/mol | McGowan Calculated Property |
| Pc | 1320.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2767.00; 2767.00] |
|
|
| Inp | 2767.00 | NIST | |
| Inp | 2767.00 | NIST | |
| Tboil | 685.73 | K | Relay (1.0) Calculated Property |
| Tc | 940.96 | K | Relay (1.0) Calculated Property |
| Tfus | 394.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.019 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Para-fluorofentanyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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